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Depudecin

CAT: 0013-GTR19209073-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209073-02Size:50 mg
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Description
Depudecin is a structurally unique fungal polyketide featuring an 11-carbon chain with two epoxides and six stereocenters. It acts as a histone deacetylase (HDAC) inhibitor, demonstrating activity in both in vitro and in vivo studies, and exhibits anti-angiogenic properties relevant to cancer research.
CAS Number
139508-73-9
Field of Research
Epigenetics & Chromatin, Molecular Biology
Smiles
C (=C/[C@H]1[C@] ([C@@H] (C) O) (O1) [H]) \[C@H]2[C@] ([C@@H] (C=C) O) (O2) [H]
Molecular Formula
C11H16O4
Molecular Weight
212.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Depudecin

Depudecin is a polyketide obtained from the fungus Alternaria brassicicola and having a highly unusual structure of an 11-carbon chain containing two epoxides and six stereogenic centres. It is an inhibitor of histone deacetylase (HDAC) both in vivo and in vitro and also exhibits anti-angiogenic activity. It has a role as an EC 3.5.1.98 (histone deacetylase) inhibitor and a fungal metabolite.

CAS Number139508-73-9
PubChem CID16219259
IUPAC Name(1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1R)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol
Molecular FormulaC11H16O4
Molecular Weight212.24
XLogP-0.3
Topological Polar Surface Area65.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity276
SMILES
C[C@H]([C@H]1[C@@H](O1)/C=C/[C@H]2[C@@H](O2)[C@@H](C=C)O)O
InChI
InChI=1S/C11H16O4/c1-3-7(13)11-9(15-11)5-4-8-10(14-8)6(2)12/h3-13H,1H2,2H3/b5-4+/t6-,7-,8+,9+,10+,11+/m1/s1
InChIKey
DLVJMFOLJOOWFS-INMLLLKOSA-N
Chemical Structure
2D Structure
2D structure of Depudecin
CAS: 139508-73-9
CID: 16219259
Formula: C11H16O4
MW: 212.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.24
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass212.10485899
Monoisotopic Mass212.10485899
Topological Polar Surface Area65.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity276
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T70778-01Depudecin
TRC-D289313-25MG(-)-Depudecin
167803Depudecin (4,5:8,9-Dianhydro-1,2,6,7,11-pentadeoxy-D-threo-D-ido-undeca-1,6-dienitol) discontinued

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